N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine

C11H19N3O — CID 63564015

IUPACN-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(C2CCOC2)c1
InChIInChI=1S/C11H19N3O/c1-9(2)12-5-10-6-13-14(7-10)11-3-4-15-8-11/h6-7,9,11-12H,3-5,8H2,1-2H3
InChIKeyGNSRNQGPXDCPEA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds4

About N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine

N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 63564015) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID63564015
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(C2CCOC2)c1
InChIInChI=1S/C11H19N3O/c1-9(2)12-5-10-6-13-14(7-10)11-3-4-15-8-11/h6-7,9,11-12H,3-5,8H2,1-2H3
InChIKeyGNSRNQGPXDCPEA-UHFFFAOYSA-N
XLogP1.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564017
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806
4-ethyl-1-(oxolan-3-yl)pyrazole
CID 84731626
ethane;4-ethyl-1-(oxolan-3-yl)pyrazole
CID 164911737
N-[[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79910305
2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid
CID 105481832
2-[1-(oxolan-3-yl)pyrazol-4-yl]propan-1-amine
CID 105449225
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid
CID 129462871
1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 103700538
N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 62731768
1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
CID 61272922

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine (CID 63564015) is N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cnn(C2CCOC2)c1.
What is the InChIKey of N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is GNSRNQGPXDCPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)12-5-10-6-13-14(7-10)11-3-4-15-8-11/h6-7,9,11-12H,3-5,8H2,1-2H3.
What are the key properties of N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 63564015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).